N-(3-acetylphenyl)-2-[(11R)-12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl]acetamide

C22H19N3O3 — CID 7457927

IUPACN-(3-acetylphenyl)-2-[(11R)-12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl]acetamide
SMILESCC(=O)c1cccc(NC(=O)C[C@H]2Nc3cccc4cccc(c34)NC2=O)c1
InChIInChI=1S/C22H19N3O3/c1-13(26)15-7-2-8-16(11-15)23-20(27)12-19-22(28)25-18-10-4-6-14-5-3-9-17(24-19)21(14)18/h2-11,19,24H,12H2,1H3,(H,23,27)(H,25,28)/t19-/m1/s1
InChIKeyLCKPCFUKSUFKRR-LJQANCHMSA-N
MW373.41 g/mol
LogP3.80
Rot. Bonds4

About N-(3-acetylphenyl)-2-[(11R)-12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl]acetamide

N-(3-acetylphenyl)-2-[(11R)-12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl]acetamide (PubChem CID 7457927) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-[(11R)-12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl]acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-[(11R)-12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl]acetamide
PubChem CID7457927
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC NameN-(3-acetylphenyl)-2-[(11R)-12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl]acetamide
SMILESCC(=O)c1cccc(NC(=O)C[C@H]2Nc3cccc4cccc(c34)NC2=O)c1
InChIInChI=1S/C22H19N3O3/c1-13(26)15-7-2-8-16(11-15)23-20(27)12-19-22(28)25-18-10-4-6-14-5-3-9-17(24-19)21(14)18/h2-11,19,24H,12H2,1H3,(H,23,27)(H,25,28)/t19-/m1/s1
InChIKeyLCKPCFUKSUFKRR-LJQANCHMSA-N
XLogP3.80
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(3-acetylphenyl)-2-[(11R)-12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl]acetamide with MolForge

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Related Compounds

N-(4-acetylphenyl)-2-[(11R)-12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl]acetamide
CID 1242352
N-(4-acetylphenyl)-2-(12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl)acetamide
CID 2963469
2-[(11S)-12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2242059
N-(3-nitrophenyl)-2-(12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl)acetamide
CID 2963474
methyl 2-[[2-[(11R)-12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl]acetyl]amino]benzoate
CID 2242058
methyl 2-[[2-[(11S)-12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl]acetyl]amino]benzoate
CID 2242057
[3-[[2-[(2S)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetyl]amino]phenyl] acetate
CID 692028
2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-(3-methylphenyl)acetamide
CID 3149572
N-(3-bromophenyl)-2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]acetamide
CID 51837600
2-(2,5-dioxoimidazolidin-4-yl)-N-(3-methoxyphenyl)acetamide
CID 47150004
N-(3,4-difluorophenyl)-2-[(2R)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetamide
CID 29101500
2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 90489229

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-[(11R)-12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl]acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-[(11R)-12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl]acetamide (CID 7457927) is N-(3-acetylphenyl)-2-[(11R)-12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl]acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-[(11R)-12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl]acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-[(11R)-12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl]acetamide is CC(=O)c1cccc(NC(=O)C[C@H]2Nc3cccc4cccc(c34)NC2=O)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-[(11R)-12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl]acetamide?
The InChIKey is LCKPCFUKSUFKRR-LJQANCHMSA-N. The full InChI is InChI=1S/C22H19N3O3/c1-13(26)15-7-2-8-16(11-15)23-20(27)12-19-22(28)25-18-10-4-6-14-5-3-9-17(24-19)21(14)18/h2-11,19,24H,12H2,1H3,(H,23,27)(H,25,28)/t19-/m1/s1.
What are the key properties of N-(3-acetylphenyl)-2-[(11R)-12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl]acetamide?
N-(3-acetylphenyl)-2-[(11R)-12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl]acetamide has a molecular weight of 373.41 g/mol, XLogP of 3.80, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-[(11R)-12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl]acetamide is sourced from PubChem (CID 7457927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).